LAMMPS (24 Dec 2020)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:97)
  using 1 OpenMP thread(s) per MPI task
# Big colloid particles and small LJ particles

units		lj
atom_style	sphere
dimension	2

lattice		sq 0.1
Lattice spacing in x,y,z = 3.1622777 3.1622777 3.1622777
region		box block 0 60 0 60 -0.5 0.5
create_box	5 box
Created orthogonal box = (0.0000000 0.0000000 -1.5811388) to (189.73666 189.73666 1.5811388)
  2 by 2 by 1 MPI processor grid
create_atoms 1 box
Created 3600 atoms
  create_atoms CPU = 0.001 seconds

#Roughly equally partition atoms between types 1-4
set		group all type/fraction 2 0.500 23984
Setting atom values ...
  1768 settings made for type/fraction
set		group all type/fraction 3 0.333 43684
Setting atom values ...
  1255 settings made for type/fraction
set		group all type/fraction 4 0.250 87811
Setting atom values ...
  927 settings made for type/fraction

# remove two spheres of small particles and add large particles in the voids
region sphere1 sphere 60.0 60.0 0.0 30.0 units box
region sphere2 sphere 130.0 130.0 0.0 30.0 units box
delete_atoms  region sphere1
Deleted 289 atoms, new total = 3311
delete_atoms  region sphere2
Deleted 287 atoms, new total = 3024
create_atoms 5 single 60.0 60.0 0.0 units box
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 5 single 130.0 130.0 0.0 units box
Created 1 atoms
  create_atoms CPU = 0.000 seconds

set		type 1 mass 400
Setting atom values ...
  753 settings made for mass
set		type 2 mass 1
Setting atom values ...
  722 settings made for mass

velocity	all create 1.44 87287 loop geom

# multi neighbor and comm for efficiency

neighbor	1 multi/old #multi
neigh_modify	delay 0 #multi/custom 2 1*4 5
comm_modify     mode multi/old #multi multi/reduce

# colloid potential

pair_style	colloid 20.0
pair_coeff	* * 144.0 1.0 0.0 0.0 3.0
pair_coeff	1 5 75.4  1.0 0.0 20.0 14.0
pair_coeff	2 5 75.4  1.0 0.0 20.0 14.0
pair_coeff	3 5 75.4  1.0 0.0 20.0 14.0
pair_coeff	4 5 75.4  1.0 0.0 20.0 14.0
pair_coeff	5 5 39.5  1.0 20.0 20.0 30.0



fix		1 all npt temp 2.0 2.0 1.0 iso 0.0 1.0 10.0 drag 1.0 	        mtk no pchain 0 tchain 1
fix		2 all enforce2d

#dump		1 all atom 1000 dump.colloid

#dump		2 all image 1000 image.*.jpg type type #		zoom 1.5 center d 0.5 0.5 0.5
#dump_modify	2 pad 5 adiam 1 5.0 adiam 2 1.5

#dump		3 all movie 1000 movie.mpg type type #		zoom 1.5 center d 0.5 0.5 0.5
#dump_modify	3 pad 5 adiam 1 5.0 adiam 2 1.5

thermo_style	custom step temp epair etotal press vol
thermo		1000

timestep	0.005

run		50000
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 31
  ghost atom cutoff = 31
  binsize = 2, bins = 95 95 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair colloid, perpetual
      attributes: half, newton on
      pair build: half/multi/old/newton
      stencil: half/multi/old/2d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.404 | 4.406 | 4.410 Mbytes
Step Temp E_pair TotEng Press Volume 
       0         1.44            0    1.4395241        0.121        36000 
    1000    1.8856066  -0.15771717    1.7272663   0.13840578    42574.399 
    2000    1.8590154  -0.11436231    1.7440387  0.097150798    58590.688 
    3000    1.8956738 -0.090814168    1.8042332  0.075557943    77825.289 
    4000    1.9567884 -0.072243657    1.8838981  0.072836007    90931.521 
    5000    2.0386455 -0.084279096    1.9536927   0.06867562    90054.581 
    6000    2.0816461 -0.093158646    1.9877995  0.082802397    78084.994 
    7000    2.0854943  -0.10553618     1.979269   0.10230351    63886.068 
    8000    2.0923948  -0.14072173    1.9509816   0.11775174    52590.899 
    9000    2.0687841  -0.15957251    1.9085279   0.14963059     44575.69 
   10000    2.0607467  -0.18970216    1.8703636   0.17210861    39016.271 
   11000    2.0538523  -0.20866031    1.8445133   0.18554787    34992.223 
   12000    2.0408745  -0.22276635    1.8174337   0.21228473    31794.869 
   13000    2.0366678  -0.24217764    1.7938171   0.22999314    29186.441 
   14000    2.0470314  -0.26923854    1.7771164    0.2576977    26941.432 
   15000    2.0262458  -0.27296827    1.7526079   0.25960813    25184.491 
   16000    2.0410096  -0.30940081    1.7309343   0.27842776    23619.633 
   17000     2.027379  -0.32411477    1.7025943   0.32102949    22231.582 
   18000    2.0338405  -0.34468182    1.6884866    0.3306203    21028.933 
   19000     2.032206  -0.36558904    1.6659454   0.33926726    19958.945 
   20000    2.0347643   -0.3915229     1.642569   0.33718716    19054.271 
   21000    2.0242901  -0.38913219     1.634489   0.38062225    18190.934 
   22000    2.0207557  -0.41078199    1.6093059   0.40143768     17422.03 
   23000    2.0069068  -0.42062708    1.5856165   0.40146954    16717.999 
   24000    2.0300595   -0.4536262    1.5757624   0.49229743    16097.323 
   25000    2.0347548  -0.47655047    1.5575319   0.46787969    15564.848 
   26000    2.0180789  -0.46537586    1.5520362   0.48541997    15072.597 
   27000    2.0150506   -0.4886202    1.5257645   0.53829749     14621.24 
   28000    2.0175464  -0.50951413    1.5073655   0.50140171    14253.441 
   29000    2.0186127  -0.53911975    1.4788258   0.52955802    13930.266 
   30000    2.0006844  -0.52621334    1.4738099   0.60130639    13650.051 
   31000    2.0179614  -0.54573939    1.4715551   0.58747508    13285.903 
   32000    2.0333208  -0.57431851    1.4583303   0.62631039    12894.077 
   33000    2.0017273  -0.57778326    1.4232825   0.61159622    12595.987 
   34000    2.0063025  -0.58192939    1.4237101   0.66174764    12316.964 
   35000    2.0174782  -0.60591394    1.4108976   0.63571024    12063.433 
   36000     2.025112  -0.64319133    1.3812514   0.62829458    11930.246 
   37000    2.0431268  -0.64342323    1.3990283   0.68038546    11651.664 
   38000    2.0064271  -0.63716263    1.3686014   0.72167175    11345.421 
   39000    2.0284014  -0.67236471    1.3553663   0.68693225    11062.293 
   40000    2.0181711   -0.6962559    1.3212483   0.76033095    10864.176 
   41000    1.9908152  -0.66607906    1.3240783   0.90250403    10812.599 
   42000    2.0007084  -0.68853623     1.311511   0.88096905    10627.922 
   43000     1.998883  -0.69053805    1.3076844   0.81765345    10469.928 
   44000    2.0197069  -0.72507021    1.2939693   0.87004916    10194.954 
   45000    2.0112835  -0.72638581     1.284233   0.99236207    9968.2662 
   46000    2.0195002  -0.75152677    1.2673061   0.92706763    9751.1162 
   47000     1.983694  -0.75006702    1.2329714    0.8945741    9652.1453 
   48000    1.9977505  -0.77207122     1.225019   0.92107083    9647.1543 
   49000    2.0000901  -0.76254934    1.2368798    1.0320945    9536.2823 
   50000    2.0150929  -0.80463979    1.2097872   0.99556424    9324.0277 
Loop time of 10.7578 on 4 procs for 50000 steps with 3026 atoms

Performance: 2007847.166 tau/day, 4647.794 timesteps/s
98.2% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 2.3814     | 2.6878     | 2.9507     |  15.2 | 24.98
Neigh   | 2.3959     | 2.6615     | 2.9677     |  16.2 | 24.74
Comm    | 2.4113     | 2.9894     | 3.5621     |  29.6 | 27.79
Output  | 0.00077024 | 0.00091029 | 0.0012971  |   0.0 |  0.01
Modify  | 1.7966     | 1.8497     | 1.907      |   3.8 | 17.19
Other   |            | 0.5686     |            |       |  5.29

Nlocal:        756.500 ave         838 max         693 min
Histogram: 2 0 0 0 0 0 0 1 0 1
Nghost:        1282.50 ave        1333 max        1216 min
Histogram: 1 0 0 0 1 0 0 0 1 1
Neighs:        6426.25 ave        7350 max        5786 min
Histogram: 2 0 0 0 0 1 0 0 0 1

Total # of neighbors = 25705
Ave neighs/atom = 8.4947125
Neighbor list builds = 4326
Dangerous builds = 0

Please see the log.cite file for references relevant to this simulation

Total wall time: 0:00:10
